2-methylprop-2-enoic acid;prop-1-ene

C7H12O2 — CID 87506350

IUPAC2-methylprop-2-enoic acid;prop-1-ene
SMILESC=C(C)C(=O)O.C=CC
InChIInChI=1S/C4H6O2.C3H6/c1-3(2)4(5)6;1-3-2/h1H2,2H3,(H,5,6);3H,1H2,2H3
InChIKeyFAVWXKQADKRESO-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.84
Rot. Bonds1

About 2-methylprop-2-enoic acid;prop-1-ene

2-methylprop-2-enoic acid;prop-1-ene (PubChem CID 87506350) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;prop-1-ene.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;prop-1-ene
PubChem CID87506350
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methylprop-2-enoic acid;prop-1-ene
SMILESC=C(C)C(=O)O.C=CC
InChIInChI=1S/C4H6O2.C3H6/c1-3(2)4(5)6;1-3-2/h1H2,2H3,(H,5,6);3H,1H2,2H3
InChIKeyFAVWXKQADKRESO-UHFFFAOYSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;prop-1-ene?
The IUPAC name of 2-methylprop-2-enoic acid;prop-1-ene (CID 87506350) is 2-methylprop-2-enoic acid;prop-1-ene.
What is the SMILES notation for 2-methylprop-2-enoic acid;prop-1-ene?
The canonical SMILES for 2-methylprop-2-enoic acid;prop-1-ene is C=C(C)C(=O)O.C=CC.
What is the InChIKey of 2-methylprop-2-enoic acid;prop-1-ene?
The InChIKey is FAVWXKQADKRESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H6/c1-3(2)4(5)6;1-3-2/h1H2,2H3,(H,5,6);3H,1H2,2H3.
What are the key properties of 2-methylprop-2-enoic acid;prop-1-ene?
2-methylprop-2-enoic acid;prop-1-ene has a molecular weight of 128.17 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;prop-1-ene is sourced from PubChem (CID 87506350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).